SCHEMBL12401733

SCHEMBL12401733

CCCC(NC(C)(C)C)C(=O)C(=O)NC1CCS(=O)(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12413685 0.88 HTT (0.32) HTTSMN1; SMN2GAAMAPK1LMNA
SCHEMBL14943449 0.86 SMN1; SMN2 (0.46) HTTSMN1; SMN2GAAMAPK1LMNA
SCHEMBL12401540 0.84 SMN1; SMN2 (0.36) SMN1; SMN2GAA
SCHEMBL12401538 0.84 SMN1; SMN2 (0.36) SMN1; SMN2GAA
SCHEMBL12401717 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL12571970 0.81 ALDH1A1 (0.49) HTTSMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL12401672 0.80 SMN1; SMN2 (0.45) SMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL8243403 0.79 SMN1; SMN2 (0.50) HTTSMN1; SMN2GAAMAPK1LMNA
SCHEMBL12401663 0.72 MME (0.45) LMNA
SCHEMBL12401535 0.71 CTSK (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 HTT 3023/4885SMN1; SMN2 2265/4885GAA 773/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HTT 3023/4885SMN1; SMN2 2265/4885GAA 773/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HTT 3200/4885SMN1; SMN2 2156/4885GAA 771/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.